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1,4-Butanedione, 1,4-diphenyl-2,3-bis(phenylmethyl)-, (R*,S*)-
SpectraBase Compound ID 1T3xVSYpG3n
InChI InChI=1S/C30H26O2/c31-29(25-17-9-3-10-18-25)27(21-23-13-5-1-6-14-23)28(22-24-15-7-2-8-16-24)30(32)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28+
InChIKey XGFLPTKESRTZTP-HNRBIFIRSA-N
Mol Weight 418.54 g/mol
Molecular Formula C30H26O2
Exact Mass 418.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZToe16juVF
Name 1,4-Butanedione, 1,4-diphenyl-2,3-bis(phenylmethyl)-, (R*,S*)-
CAS Registry Number 125304-91-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26O2
InChI InChI=1S/C30H26O2/c31-29(25-17-9-3-10-18-25)27(21-23-13-5-1-6-14-23)28(22-24-15-7-2-8-16-24)30(32)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28+
InChIKey XGFLPTKESRTZTP-HNRBIFIRSA-N
Molecular Weight 418.536 g/mol
SMILES [C@]([C@@](C(=O)c1ccccc1)(Cc1ccccc1)[H])(C(=O)c1ccccc1)(Cc1ccccc1)[H]
SPLASH splash10-0a4i-3960000000-9c8c42e7fddafbbecb4e
Source of Spectrum KC-1989-1589-20
Synonyms (2R,3S)-2,3-dibenzyl-1,4-diphenyl-1,4-butanedione (2R,3S)-2,3-dibenzyl-1,4-diphenylbutane-1,4-dione Threo-2,3-dibenzyl-1,4-diphenylbuta-1,4-dione
Wiley ID 1377509